3-benzyl-5-fluoro-1-(oxolan-2-yl)pyrimidine-2,4-dione

C15H15FN2O3 — CID 3125979

IUPAC3-benzyl-5-fluoro-1-(oxolan-2-yl)pyrimidine-2,4-dione
SMILESO=c1c(F)cn(C2CCCO2)c(=O)n1Cc1ccccc1
InChIInChI=1S/C15H15FN2O3/c16-12-10-17(13-7-4-8-21-13)15(20)18(14(12)19)9-11-5-2-1-3-6-11/h1-3,5-6,10,13H,4,7-9H2
InChIKeyUIKXFKPZKUHTBB-UHFFFAOYSA-N
MW290.29 g/mol
LogP1.51
Rot. Bonds3

About 3-benzyl-5-fluoro-1-(oxolan-2-yl)pyrimidine-2,4-dione

3-benzyl-5-fluoro-1-(oxolan-2-yl)pyrimidine-2,4-dione (PubChem CID 3125979) has the molecular formula C15H15FN2O3 and a molecular weight of 290.29 g/mol. Its IUPAC name is 3-benzyl-5-fluoro-1-(oxolan-2-yl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-benzyl-5-fluoro-1-(oxolan-2-yl)pyrimidine-2,4-dione
PubChem CID3125979
Molecular FormulaC15H15FN2O3
Molecular Weight290.29 g/mol
Exact Mass290.11
IUPAC Name3-benzyl-5-fluoro-1-(oxolan-2-yl)pyrimidine-2,4-dione
SMILESO=c1c(F)cn(C2CCCO2)c(=O)n1Cc1ccccc1
InChIInChI=1S/C15H15FN2O3/c16-12-10-17(13-7-4-8-21-13)15(20)18(14(12)19)9-11-5-2-1-3-6-11/h1-3,5-6,10,13H,4,7-9H2
InChIKeyUIKXFKPZKUHTBB-UHFFFAOYSA-N
XLogP1.51
TPSA53.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-5-fluoro-1-(oxolan-2-yl)pyrimidine-2,4-dione?
The IUPAC name of 3-benzyl-5-fluoro-1-(oxolan-2-yl)pyrimidine-2,4-dione (CID 3125979) is 3-benzyl-5-fluoro-1-(oxolan-2-yl)pyrimidine-2,4-dione.
What is the SMILES notation for 3-benzyl-5-fluoro-1-(oxolan-2-yl)pyrimidine-2,4-dione?
The canonical SMILES for 3-benzyl-5-fluoro-1-(oxolan-2-yl)pyrimidine-2,4-dione is O=c1c(F)cn(C2CCCO2)c(=O)n1Cc1ccccc1.
What is the InChIKey of 3-benzyl-5-fluoro-1-(oxolan-2-yl)pyrimidine-2,4-dione?
The InChIKey is UIKXFKPZKUHTBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O3/c16-12-10-17(13-7-4-8-21-13)15(20)18(14(12)19)9-11-5-2-1-3-6-11/h1-3,5-6,10,13H,4,7-9H2.
What are the key properties of 3-benzyl-5-fluoro-1-(oxolan-2-yl)pyrimidine-2,4-dione?
3-benzyl-5-fluoro-1-(oxolan-2-yl)pyrimidine-2,4-dione has a molecular weight of 290.29 g/mol, XLogP of 1.51, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-5-fluoro-1-(oxolan-2-yl)pyrimidine-2,4-dione is sourced from PubChem (CID 3125979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).